[(2S)-2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] octadecanoate

Systemtic Name: [(2S)-2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] octadecanoate Openeye Name: [(2S)-2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] octadecanoate CAS Name: octadecanoic acid [(2S)-2-[(E)-1-oxooctadec-9-enoxy]-3-[(Z)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] octadecanoate Traditional Name: stearic acid [(2S)-2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] ester Formula: C57H106O6 MolecularWeight: 887.44794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,54H,4-24,26,29,31-53H2,1-3H3/b28-25-,30-27+/t54-/m1/s1